1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C15H17BrN6O — CID 126948247

IUPAC1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CCN(c3ncc(Br)cn3)C2)c1
InChIInChI=1S/C15H17BrN6O/c16-11-6-17-15(18-7-11)20-5-3-12(9-20)22-10-13(8-19-22)21-4-1-2-14(21)23/h6-8,10,12H,1-5,9H2
InChIKeyOJHAHFVFYMLEJO-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948247) has the molecular formula C15H17BrN6O and a molecular weight of 377.25 g/mol. Its IUPAC name is 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948247
Molecular FormulaC15H17BrN6O
Molecular Weight377.25 g/mol
Exact Mass376.06
IUPAC Name1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CCN(c3ncc(Br)cn3)C2)c1
InChIInChI=1S/C15H17BrN6O/c16-11-6-17-15(18-7-11)20-5-3-12(9-20)22-10-13(8-19-22)21-4-1-2-14(21)23/h6-8,10,12H,1-5,9H2
InChIKeyOJHAHFVFYMLEJO-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948459
1-[1-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948295
1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948313
1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948471
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948474
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948496
1-[1-[1-(1,2,5-thiadiazol-3-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945328
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
1-[1-[1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948518
1-[1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945517

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948247) is 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CCN(c3ncc(Br)cn3)C2)c1.
What is the InChIKey of 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is OJHAHFVFYMLEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6O/c16-11-6-17-15(18-7-11)20-5-3-12(9-20)22-10-13(8-19-22)21-4-1-2-14(21)23/h6-8,10,12H,1-5,9H2.
What are the key properties of 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 377.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).